Materials Data on BH4NF4 by Materials Project

doi:10.17188/1287160

Title: Materials Data on BH4NF4 by Materials Project

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Abstract

NH4BF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-720391

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; BH4NF4; B-F-H-N

OSTI Identifier:: 1287160

DOI:: https://doi.org/10.17188/1287160

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                    The Materials Project. Materials Data on BH4NF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287160.

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                    The Materials Project. Materials Data on BH4NF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287160

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                    The Materials Project. 2020.  
"Materials Data on BH4NF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287160.  https://www.osti.gov/servlets/purl/1287160. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1287160,

  title        = {Materials Data on BH4NF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH4BF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.},

  doi          = {10.17188/1287160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287160

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